Geometry & MOs

Info

ID:	290619
PubChem CID:	109770622
Reduced:	IN5C14H24 (1)
Stoich.:	AB5C14D24 (1)
Weight, g/mol:	395.218447
ΔH_f, kcal/mol:	57.44
Dipole, Da:	1.79
IP(EA), eV:	-9.07(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopent-3-en-1-yl-3-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCCNC(=NC)NC2CC=CC2.I

DOS

IR

Vibrations